Home > Compound List > Compound details
MFCD09959608 molecular structure
click picture or here to close

N-(4-methoxyphenyl)-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

ChemBase ID: 240019
Molecular Formular: C11H11N3O2S3
Molecular Mass: 313.41894
Monoisotopic Mass: 313.00133961
SMILES and InChIs

SMILES:
s1c(nnc1S)SCC(=O)Nc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)NC(=O)CSc1nnc(s1)S
InChI:
InChI=1S/C11H11N3O2S3/c1-16-8-4-2-7(3-5-8)12-9(15)6-18-11-14-13-10(17)19-11/h2-5H,6H2,1H3,(H,12,15)(H,13,17)
InChIKey:
CLGYZVKDWKISNW-UHFFFAOYSA-N

Cite this record

CBID:240019 http://www.chembase.cn/molecule-240019.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-methoxyphenyl)-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
IUPAC Traditional name
N-(4-methoxyphenyl)-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Synonyms
N-(4-methoxyphenyl)-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
MDL Number
MFCD09959608
PubChem SID
164295929
PubChem CID
24211831

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-110998 external link Add to cart Please log in.
Data Source Data ID
PubChem 24211831 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.627681  H Acceptors
H Donor LogD (pH = 5.5) 2.2514899 
LogD (pH = 7.4) 1.5284138  Log P 2.2814963 
Molar Refractivity 82.0772 cm3 Polarizability 30.460026 Å3
Polar Surface Area 64.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.924 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle